1-[2-[(3-azanyl-6-oxidanyl-6-oxidanylidene-2-sulfanyl-hexanoyl)amino]-3-methyl-pentanoyl]pyrrolidine-2,3-dicarboxylic acid

Systemtic Name: 1-[2-[(3-azanyl-6-oxidanyl-6-oxidanylidene-2-sulfanyl-hexanoyl)amino]-3-methyl-pentanoyl]pyrrolidine-2,3-dicarboxylic acid Openeye Name: 1-[2-[(3-amino-6-hydroxy-6-oxo-2-sulfanyl-hexanoyl)amino]-3-methyl-pentanoyl]pyrrolidine-2,3-dicarboxylic acid CAS Name: 1-[2-[(3-amino-6-hydroxy-2-mercapto-1,6-dioxohexyl)amino]-3-methyl-1-oxopentyl]pyrrolidine-2,3-dicarboxylic acid IUPAC Name: 1-[2-[(3-amino-6-hydroxy-6-oxo-2-sulfanylhexanoyl)amino]-3-methylpentanoyl]pyrrolidine-2,3-dicarboxylic acid Traditional Name: 1-[2-[(3-amino-6-hydroxy-6-keto-2-mercapto-hexanoyl)amino]-3-methyl-pentanoyl]pyrrolidine-2,3-dicarboxylic acid Formula: C18H29N3O8S MolecularWeight: 447.50316

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCC(C1C(=O)O)C(=O)O)NC(=O)C(C(CCC(=O)O)N)S

Isomeric SMILES

CCC(C)C(C(=O)N1CCC(C1C(=O)O)C(=O)O)NC(=O)C(C(CCC(=O)O)N)S

InChI

InChI=1S/C18H29N3O8S/c1-3-8(2)12(20-15(24)14(30)10(19)4-5-11(22)23)16(25)21-7-6-9(17(26)27)13(21)18(28)29/h8-10,12-14,30H,3-7,19H2,1-2H3,(H,20,24)(H,22,23)(H,26,27)(H,28,29)